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Chemical Space Python Packages

Python packages with the GitHub topic chemical-space. Sorted by monthly downloads, with stars and forks.
DrrDom
crem

CReM: chemically reasonable mutations framework

4K 287 45
ale94mleon
moldrug

moldrug (AKA mouse) is a Python package for drug-oriented optimization on the chemical space ​

736 42 7
mcsorkun
chemplot

A python package for chemical space visualization.

505 155 35
AspirinCode
qrci

A Quantitative Ring Complexity Index for Profiling Ring Topology and Chemical Diversity

114 12 2
gmattedi
chemicalspace

Object-oriented Representation for Chemical Spaces

74 2 0
    • Original data from PyPI, GitHub, and OSV; downloads served through ClickHouse
    • Sources & methodology